Dihydroazulene-vinylheptafulvene based photoswitchable lewis pairs for tunable H2 activation
Sign Up to like & getrecommendations! Published in 2019 at "International Journal of Hydrogen Energy"
DOI: 10.1016/j.ijhydene.2019.03.251
Abstract: Abstract Photoswitchable catalysis involves alteration in the intrinsic catalytic properties of an active species through a reversible photochemical transformation. Herein, we report dihydroazulene-vinylheptafulvene (DHA-VHF) based photoswitchable frustrated Lewis pairs (FLPs) for reversible hydrogen activation. The… read more here.
Keywords: based photoswitchable; dihydroazulene vinylheptafulvene; vinylheptafulvene; lewis pairs ... See more keywords
Accurate Isomerization Enthalpy and Investigation of the Errors in Density Functional Theory for Dihydroazulene/Vinylheptafulvene Photochromism Using Diffusion Monte Carlo
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b09437
Abstract: We investigate the isomerization enthalpy of the dihydroazulene/vinylheptafulvene (DHA/VHF) molecular photoswitch system derivatives using electronic structure calculation methods including density functional theory (DFT), quantum Monte Carlo (QMC), and coupled cluster (CCSD(T)). Recent efforts have focused… read more here.
Keywords: isomerization enthalpy; density functional; monte carlo; dihydroazulene vinylheptafulvene ... See more keywords